# CIF generated by HEAS from Alexandria entry agm007339077 data_agm007339077 _cell_length_a 5.61008 _cell_length_b 5.15922 _cell_length_c 5.18547 _cell_angle_alpha 112.93491 _cell_angle_beta 113.10648 _cell_angle_gamma 99.83714 _cell_volume 117.47954 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti1 Ti 0.50000 0.00000 0.50000 1.00000 H1 H 0.36464 0.57029 0.79207 1.00000 H2 H 0.63536 0.42971 0.20793 1.00000 H3 H 0.85852 0.57031 0.77910 1.00000 H4 H 0.14542 0.92497 0.71320 1.00000 H5 H 0.14148 0.42969 0.22090 1.00000 H6 H 0.91468 0.15647 0.75850 1.00000 H7 H 0.08532 0.84353 0.24150 1.00000 H8 H 0.85458 0.07503 0.28680 1.00000 Ir1 Ir 0.00000 0.00000 0.00000 1.00000 Ir2 Ir 0.50000 0.00000 0.00000 1.00000 Ir3 Ir 0.00000 0.50000 0.50000 1.00000 Ir4 Ir 0.50000 0.50000 0.50000 1.00000